1-[5-(azonan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[5-(azonan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[5-(azonan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[5-(1-azonanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[5-(azonan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[5-(azonan-1-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCCCCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCCCCCC4)C

InChI

InChI=1S/C26H33N5O2/c1-19-12-11-13-20(18-19)27-26(33)29-23-25(32)30(2)22-15-8-7-14-21(22)24(28-23)31-16-9-5-3-4-6-10-17-31/h7-8,11-15,18,23H,3-6,9-10,16-17H2,1-2H3,(H2,27,29,33)